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Product Overview

Product Code

TRC-D436475

CAS Number

64118-81-6

Product Format

Neat

Molecular Formula

C20 H19 Cl2 N O8

Molecular Weight

472.27

API Family

Diclofenac

Product Categories

TRC, Additional endogenous metabolites, Neurology Research Chemicals and Analytical Standards, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Diclofenac Acyl-beta-D-glucuronide

CAS Number

64118-81-6

Molecular Formula

C20 H19 Cl2 N O8

Molecular Weight

472.27

Accurate Mass

471.0488

Flash Point

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc3c(Cl)cccc3Cl)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Diclofenac

Purity

>95% (HPLC)

Product Description

A metabolite of Diclofenac, a nonsteroidal inflammatory compound and cyclooxygenase (COX) inhibitor.

References: Kenny, J. R., et al.: J. Med. Chem., 47, 2816 (2004)

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